[4-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-1-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [4-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolyl]-(3-isopropoxyphenyl)methanone CAS Name: [4-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(hydroxymethyl)-6,7-dimethoxyisoquinolin-1-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (6,7-dimethoxy-4-methylol-1-isoquinolyl)-(3-isopropoxyphenyl)methanone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CO

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CO

InChI

InChI=1S/C22H23NO5/c1-13(2)28-16-7-5-6-14(8-16)22(25)21-18-10-20(27-4)19(26-3)9-17(18)15(12-24)11-23-21/h5-11,13,24H,12H2,1-4H3